3-methoxy-4-[2-(1-methylpiperidin-4-yl)ethoxy]aniline

C15H24N2O2 — CID 22326800

IUPAC3-methoxy-4-[2-(1-methylpiperidin-4-yl)ethoxy]aniline
SMILESCOc1cc(N)ccc1OCCC1CCN(C)CC1
InChIInChI=1S/C15H24N2O2/c1-17-8-5-12(6-9-17)7-10-19-14-4-3-13(16)11-15(14)18-2/h3-4,11-12H,5-10,16H2,1-2H3
InChIKeyPRQPABGGAWSKCW-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.39
Rot. Bonds5

About 3-methoxy-4-[2-(1-methylpiperidin-4-yl)ethoxy]aniline

3-methoxy-4-[2-(1-methylpiperidin-4-yl)ethoxy]aniline (PubChem CID 22326800) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 3-methoxy-4-[2-(1-methylpiperidin-4-yl)ethoxy]aniline.

Molecular Properties

Compound Name3-methoxy-4-[2-(1-methylpiperidin-4-yl)ethoxy]aniline
PubChem CID22326800
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name3-methoxy-4-[2-(1-methylpiperidin-4-yl)ethoxy]aniline
SMILESCOc1cc(N)ccc1OCCC1CCN(C)CC1
InChIInChI=1S/C15H24N2O2/c1-17-8-5-12(6-9-17)7-10-19-14-4-3-13(16)11-15(14)18-2/h3-4,11-12H,5-10,16H2,1-2H3
InChIKeyPRQPABGGAWSKCW-UHFFFAOYSA-N
XLogP2.39
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-[2-(1-methylpiperidin-4-yl)ethoxy]aniline?
The IUPAC name of 3-methoxy-4-[2-(1-methylpiperidin-4-yl)ethoxy]aniline (CID 22326800) is 3-methoxy-4-[2-(1-methylpiperidin-4-yl)ethoxy]aniline.
What is the SMILES notation for 3-methoxy-4-[2-(1-methylpiperidin-4-yl)ethoxy]aniline?
The canonical SMILES for 3-methoxy-4-[2-(1-methylpiperidin-4-yl)ethoxy]aniline is COc1cc(N)ccc1OCCC1CCN(C)CC1.
What is the InChIKey of 3-methoxy-4-[2-(1-methylpiperidin-4-yl)ethoxy]aniline?
The InChIKey is PRQPABGGAWSKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c1-17-8-5-12(6-9-17)7-10-19-14-4-3-13(16)11-15(14)18-2/h3-4,11-12H,5-10,16H2,1-2H3.
What are the key properties of 3-methoxy-4-[2-(1-methylpiperidin-4-yl)ethoxy]aniline?
3-methoxy-4-[2-(1-methylpiperidin-4-yl)ethoxy]aniline has a molecular weight of 264.37 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-[2-(1-methylpiperidin-4-yl)ethoxy]aniline is sourced from PubChem (CID 22326800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).